RefMet Compound Details
| RefMet ID, RefMet name, exact mass and formula | ||
| RefMet ID | RM0136134 | |
|---|---|---|
| RefMet name | Famotidine | |
| Systematic name | 3-{[(2-carbamimidamido-1,3-thiazol-4-yl)methyl]sulfanyl}-N-sulfamoylpropanimidamide | |
| Synonyms | PubChem Synonyms | |
| Exact mass | 337.044939 (neutral) | Calculate m/z:
View other RefMet entries with this exact (neutral) mass: +/- 0.05 amu +/- 0.1 amu +/- 0.2 amu +/- 0.5 amu |
| Formula | C8H15N7O2S3 | View other entries in RefMet with this formula |
| Molecular descriptors | ||
| Molfile | 37927 (Download molfile/View MW Metabolite Database details) | |
| InChI | InChI=1S/C8H15N7O2S3/c9-6(15-20(12,16)17)1-2-18-3-5-4-19-8(13-5)14-7(10)11/h4H,1-3H2,(H2,9,15)(H2,12,16,17)(H4,10,11,13,14) | |
| InChIKey | XUFQPHANEAPEMJ-UHFFFAOYSA-N | View other enantiomers/diastereomers of this metabolite in RefMet |
| SMILES | C(CSCc1csc(n1)N=C(N)N)/C(=N/S(=O)(=O)N)/N
Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
| Chemical/Biochemical Classification | ||
| Super Class | Organoheterocyclic compounds | |
| Main Class | Azoles | |
| Sub Class | Thiazoles | |
| Distribution of Famotidine in NMDR studies | ||
| Species | Plot Species distribution | |
| Sample source | Plot Sample source(tissue) distribution | |
| Platform | Platform (MS/NMR) used for detection | |
| Chromatography | Chromatography methods used for detection | |
| Studies | NMDR Studies reporting Famotidine | |
| External Links | ||
| Pubchem CID | 3325 | |
| ChEBI ID | 4975 | |
| HMDB ID | HMDB0001919 | |
| Chemspider ID | 3208 | |
| EPA CompTox | DTXCID803039 | |
| Spectral data for Famotidine standards | ||
| MassBank(EU) | View MS spectra | |
| Structural annotation level | ||
| Annotation level | 1 (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition) | |
